ethyl 1-ethyl-2,5-dimethyl-4-[(E)-3-[4-(methylcarbamoyl)piperidin-1-yl]-3-oxidanylidene-prop-1-enyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 1-ethyl-2,5-dimethyl-4-[(E)-3-[4-(methylcarbamoyl)piperidin-1-yl]-3-oxidanylidene-prop-1-enyl]pyrrole-3-carboxylate Openeye Name: ethyl 1-ethyl-2,5-dimethyl-4-[(E)-3-[4-(methylcarbamoyl)-1-piperidyl]-3-oxo-prop-1-enyl]pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-4-[(E)-3-[4-(methylcarbamoyl)-1-piperidinyl]-3-oxoprop-1-enyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2,5-dimethyl-4-[(E)-3-[4-(methylcarbamoyl)piperidin-1-yl]-3-oxoprop-1-enyl]pyrrole-3-carboxylate Traditional Name: 1-ethyl-4-[(E)-3-keto-3-[4-(methylcarbamoyl)piperidino]prop-1-enyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C)C(=O)OCC)C=CC(=O)N2CCC(CC2)C(=O)NC)C

Isomeric SMILES

CCN1C(=C(C(=C1C)C(=O)OCC)/C=C/C(=O)N2CCC(CC2)C(=O)NC)C

InChI

InChI=1S/C21H31N3O4/c1-6-24-14(3)17(19(15(24)4)21(27)28-7-2)8-9-18(25)23-12-10-16(11-13-23)20(26)22-5/h8-9,16H,6-7,10-13H2,1-5H3,(H,22,26)/b9-8+